UCSF

ZINC34875521

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.45 8.68 -36.75 2 4 1 38 361.55 9
Mid Mid (pH 6-8) 4.45 10.98 -103.11 3 4 2 40 362.558 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )